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CHEBI:71607 - (5α,25S)-3-oxocholestan-26-oic acid
| Formula | C27H44O3 |
| Net Charge | 0 |
| Average Mass | 416.646 |
| Monoisotopic Mass | 416.32905 |
| SMILES | [H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])CC[C@]4([H])[C@H](C)CCC[C@H](C)C(=O)O)[C@@]1(C)CCC(=O)C2 |
| InChI | InChI=1S/C27H44O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h17-19,21-24H,5-16H2,1-4H3,(H,29,30)/t17-,18+,19+,21+,22-,23+,24+,26+,27-/m1/s1 |
| InChIKey | VJABJEQGFJMMDO-SVXMJBLUSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | hormone Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (5α,25S)-3-oxocholestan-26-oic acid (CHEBI:71607) is a (5α)-3-oxocholestan-26-oic acid (CHEBI:78701) |
| (5α,25S)-3-oxocholestan-26-oic acid (CHEBI:71607) is conjugate acid of (25S)-dafachronate (CHEBI:71568) |
| Incoming Relation(s) |
| (25S)-dafachronate (CHEBI:71568) is conjugate base of (5α,25S)-3-oxocholestan-26-oic acid (CHEBI:71607) |
| IUPAC Name |
|---|
| (25S)-3-oxo-5α-cholestan-26-oic acid |
| Synonyms | Source |
|---|---|
| (5α,25S)-3-oxocholestan-26-oic acid | IUPAC |
| (25S)-3-oxo-5α-cholestan-26-oic acid | ChEBI |
| (25S)-dafachronic acid | ChEBI |
| (+)-3-ketocholestanoic acid | SMID |
| (+)-(25S)-3-oxocholestan-26-oic acid | SMID |
| (+)-(25S)-3-oxo-5α-cholestan-26-oic acid | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:19034535 | Reaxys |
| CAS:1042719-97-0 | SMID |
| Citations |
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